MetaADEDB 2.0 @ LMMD
bacopaside I
(SKFWOYHZBNAJGA-YAOMZRCFSA-N)
Structure
SMILES
OC[C@@H]1O[C@H]([C@@H]([C@H]1O)O)O[C@H]1[C@@H](OC[C@@H]([C@@H]1O[C@@H]1O[C@H](COS(=O)(=O)O)[C@H]([C@@H]([C@H]1O)O)O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC[C@H]2[C@@]31CO[C@]1(C3)[C@@H]2[C@@](C)(O)[C@@H](CO1)C=C(C)C)C)C
Molecular Formula:
C46H74O20S
Molecular Weight:
979.133
Log P:
1.3712
Hydrogen Bond Acceptor:
20
Hydrogen Bond Donor:
9
TPSA:
307.66
CAS Number(s):
382148-47-2
Synonym(s)
1.
bacopaside I
2.
3-O-alpha-L-arabinofuranosyl-(1-2)-(6-O-sulphonyl-beta-D-glucopyranosyl-(1-3))-alpha-L-arabinopyranosyl pseudo-jujubogenin
External Link(s)
MeSHC442170
PubChem Compound21599442
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Mood Disorders17343408CTD
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